1-[7-methyl-2-(2-methylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]ethyl 2-methylpropanoate

Systemtic Name: 1-[7-methyl-2-(2-methylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]ethyl 2-methylpropanoate Openeye Name: 1-[7-methyl-2-(2-methylpropanoylamino)-4-oxo-1H-pteridin-6-yl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 1-[7-methyl-2-[(2-methyl-1-oxopropyl)amino]-4-oxo-1H-pteridin-6-yl]ethyl ester IUPAC Name: 1-[7-methyl-2-(2-methylpropanoylamino)-4-oxo-1H-pteridin-6-yl]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 1-[2-(isobutyrylamino)-4-keto-7-methyl-1H-pteridin-6-yl]ethyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N=C(N2)NC(=O)C(C)C)N=C1C(C)OC(=O)C(C)C

Isomeric SMILES

CC1=NC2=C(C(=O)N=C(N2)NC(=O)C(C)C)N=C1C(C)OC(=O)C(C)C

InChI

InChI=1S/C17H23N5O4/c1-7(2)14(23)21-17-20-13-12(15(24)22-17)19-11(9(5)18-13)10(6)26-16(25)8(3)4/h7-8,10H,1-6H3,(H2,18,20,21,22,23,24)