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

Systemtic Name: methyl 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-methoxy-1-methyl-2-oxo-ethyl]benzoate CAS Name: 4-[3-(2,4-diamino-6-pteridinyl)-1-methoxy-2-methyl-1-oxopropan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-2-methyl-1-oxopropan-2-yl]benzoate Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-keto-2-methoxy-1-methyl-ethyl]benzoic acid methyl ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N6O4/c1-19(17(27)29-3,11-6-4-10(5-7-11)16(26)28-2)8-12-9-22-15-13(23-12)14(20)24-18(21)25-15/h4-7,9H,8H2,1-3H3,(H4,20,21,22,24,25)