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Summary Geometry Related PDB entries

77V

Summary

Name:	N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
Formula:	C17 H16 N6 O
Formal charge:	0
Formula weight:	320.349 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
OpenEye OEToolkits	2.0.6	~{N}4-cyclopropyl-~{N}2-(3-methyl-1~{H}-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc2c1c(C)nn2)Nc4nc3ccoc3c(n4)NC5CC5
InChI	InChI	1.03	InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)
InChIKey	InChI	1.03	MDWXVGCLSBQVMP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1n[nH]c2cc(Nc3nc(NC4CC4)c5occc5n3)ccc12
SMILES	CACTVS	3.385	Cc1n[nH]c2cc(Nc3nc(NC4CC4)c5occc5n3)ccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
SMILES	OpenEye OEToolkits	2.0.6	Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5

223166

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