methyl 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]benzoate

Systemtic Name: methyl 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-methoxy-2-oxo-ethyl]benzoate CAS Name: 4-[3-(2,4-diamino-6-pteridinyl)-1-methoxy-1-oxopropan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-1-oxopropan-2-yl]benzoate Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-keto-2-methoxy-ethyl]benzoic acid methyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4/c1-27-16(25)10-5-3-9(4-6-10)12(17(26)28-2)7-11-8-21-15-13(22-11)14(19)23-18(20)24-15/h3-6,8,12H,7H2,1-2H3,(H4,19,20,21,23,24)