301

N6-(penta-2,3-dienyl)adenine

Created:	2008-01-14
Last modified:	2021-03-13

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of 301

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Chemical Component Summary
Name	N6-(penta-2,3-dienyl)adenine
Synonyms	N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine
Systematic Name (OpenEye OEToolkits)	(Z)-N-(9H-purin-6-yl)pent-3-en-1-imine
Formula	C₁₀ H₁₁ N₅
Molecular Weight	201.228
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(\N=C\C\C=C/C)c2ncnc2nc1
SMILES	CACTVS	3.341	CC=CCC=Nc1ncnc2[nH]cnc12
SMILES	OpenEye OEToolkits	1.5.0	CC=CCC=Nc1c2c([nH]cn2)ncn1
Canonical SMILES	CACTVS	3.341	C\C=C/CC=Nc1ncnc2[nH]cnc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	C\C=C/C\C=N\c1c2c([nH]cn2)ncn1
InChI	InChI	1.03	InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+
InChIKey	InChI	1.03	ZZNYJUJEPRMVEH-OKBMCRLZSA-N

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