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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C17H19N7O2/c1-3-26-16(25)10-4-6-12(7-5-10)24(2)9-11-8-20-15-13(21-11)14(18)22-17(19)23-15/h4-8H,3,9H2,1-2H3,(H4,18,19,20,22,23)