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

Systemtic Name: methyl 4-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxycarbonyl-propyl]benzoate CAS Name: 4-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-methoxy-1-oxobutan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxobutan-2-yl]benzoate Traditional Name: 4-[1-carbomethoxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoic acid methyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c1-4-20(18(28)30-3,12-7-5-11(6-8-12)17(27)29-2)9-13-10-23-16-14(24-13)15(21)25-19(22)26-16/h5-8,10H,4,9H2,1-3H3,(H4,21,22,23,25,26)