methyl 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl-methyl-amino]benzoate Openeye Name: methyl 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoate CAS Name: 4-[2-(2,4-diamino-6-pteridinyl)ethyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoate Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoic acid methyl ester Formula: C17H19N7O2 MolecularWeight: 353.37846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CCC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H19N7O2/c1-24(12-5-3-10(4-6-12)16(25)26-2)8-7-11-9-20-15-13(21-11)14(18)22-17(19)23-15/h3-6,9H,7-8H2,1-2H3,(H4,18,19,20,22,23)