2L4

1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol

Created:	2013-11-25
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

2D diagram of 2L4

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Chemical Component Summary
Name	1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Synonyms	5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Systematic Name (OpenEye OEToolkits)	(2E)-2-[[2,4-bis(oxidanylidene)-6-[2,3,4,5-tetrakis(oxidanyl)pentylamino]-1H-pyrimidin-5-yl]imino]ethanal
Formula	C₁₁ H₁₆ N₄ O₇
Molecular Weight	316.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(NCC(O)C(O)C(O)CO)=C(\N=C\C=O)C(=O)N1
SMILES	CACTVS	3.370	OC[CH](O)[CH](O)[CH](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=CC=O
Canonical SMILES	CACTVS	3.370	OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O
InChI	InChI	1.03	InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
InChIKey	InChI	1.03	PUEQUELBQOQOOV-GJQDMXJLSA-N

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