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

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]benzoate Openeye Name: ethyl 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate CAS Name: 4-[(2,4-diamino-6-pteridinyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid ethyl ester Formula: C16H17N7O2 MolecularWeight: 339.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C16H17N7O2/c1-2-25-15(24)9-3-5-10(6-4-9)19-7-11-8-20-14-12(21-11)13(17)22-16(18)23-14/h3-6,8,19H,2,7H2,1H3,(H4,17,18,20,22,23)