methyl 4-[(4-azanyl-2-azanylidene-1,7-dimethyl-pteridin-6-yl)methylamino]benzoate

Systemtic Name: methyl 4-[(4-azanyl-2-azanylidene-1,7-dimethyl-pteridin-6-yl)methylamino]benzoate Openeye Name: methyl 4-[(4-amino-2-imino-1,7-dimethyl-pteridin-6-yl)methylamino]benzoate CAS Name: 4-[(4-amino-2-imino-1,7-dimethyl-6-pteridinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-2-imino-1,7-dimethylpteridin-6-yl)methylamino]benzoate Traditional Name: 4-[(4-amino-2-imino-1,7-dimethyl-pteridin-6-yl)methylamino]benzoic acid methyl ester Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NC(=N)N2C)N)N=C1CNC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C(=NC(=N)N2C)N)N=C1CNC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H19N7O2/c1-9-12(8-20-11-6-4-10(5-7-11)16(25)26-3)22-13-14(18)23-17(19)24(2)15(13)21-9/h4-7,20H,8H2,1-3H3,(H3,18,19,23)