bis(phenylmethyl) 2-[(5-azanyl-3-ethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[(5-azanyl-3-ethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate Openeye Name: dibenzyl 2-[(5-amino-3-ethyl-triazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate CAS Name: 2-[(5-amino-3-ethyl-7-triazolo[4,5-d]pyrimidinyl)amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate Traditional Name: 2-[(5-amino-3-ethyl-triazolo[4,5-d]pyrimidin-7-yl)amino]succinic acid dibenzyl ester Formula: C24H25N7O4 MolecularWeight: 475.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)N)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)N)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C24H25N7O4/c1-2-31-22-20(29-30-31)21(27-24(25)28-22)26-18(23(33)35-15-17-11-7-4-8-12-17)13-19(32)34-14-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H3,25,26,27,28)