GD1

2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Created:	2012-05-25
Last modified:	2024-09-27

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2 entries where GD1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of GD1

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Chemical Component Summary
Name	2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Synonyms	7-cyano-7-deazaguanine, bound form
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-(iminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₇ H₇ N₅ O
Molecular Weight	177.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(cnc2N=C(N)N1)C=[N@H]
SMILES	CACTVS	3.370	NC1=Nc2[nH]cc(C=N)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	c1c(c2c([nH]1)N=C(NC2=O)N)C=N
Canonical SMILES	CACTVS	3.370	NC1=Nc2[nH]cc(C=N)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-
InChIKey	InChI	1.03	BETPBINTBSWYLZ-QPIMQUGISA-N

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