2-(4-methoxyphenyl)-3-(3-methylbutyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isopentyl-2-(4-methoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isoamyl-2-(4-methoxyphenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N2O3S/c1-14(2)12-13-25-21(15-8-10-16(28-3)11-9-15)24-22-19(23(25)27)20(26)17-6-4-5-7-18(17)29-22/h4-11,14H,12-13H2,1-3H3