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Summary Geometry Related PDB entries

VAR

Summary

Name:	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
Formula:	C14 H11 N7 O
Formal charge:	0
Formula weight:	293.283 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccc(O)c2c1n4c(c2c3nc(ncc3)N)ccnc4N
SMILES_CANONICAL	CACTVS	3.341	Nc1nccc(n1)c2c3ccnc(N)n3c4nccc(O)c24
SMILES	CACTVS	3.341	Nc1nccc(n1)c2c3ccnc(N)n3c4nccc(O)c24
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N
SMILES	OpenEye OEToolkits	1.5.0	c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N
InChI	InChI	1.03	InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)
InChIKey	InChI	1.03	RTHKPHCVZVYDFN-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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