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Summary Geometry Related PDB entries

G2N

Summary

Name:	ethyl [(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Formula:	C17 H19 N5 O2
Formal charge:	0
Formula weight:	325.365 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl [(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
OpenEye OEToolkits	1.7.0	ethyl N-[(2R)-5-azanyl-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)Nc2nc(c3N=C(c1ccccc1)C(Nc3c2)C)N
SMILES_CANONICAL	CACTVS	3.370	CCOC(=O)Nc1cc2N[C@H](C)C(=Nc2c(N)n1)c3ccccc3
SMILES	CACTVS	3.370	CCOC(=O)Nc1cc2N[CH](C)C(=Nc2c(N)n1)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)Nc1cc2c(c(n1)N)N=C(C(N2)C)c3ccccc3
InChI	InChI	1.03	InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m1/s1
InChIKey	InChI	1.03	XXBDOTXPQDVHIP-SNVBAGLBSA-N

222415

PDB entries from 2024-07-10

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