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

Systemtic Name: 3-(3-methylbutyl)-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isopentyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methylbutyl)-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methylbutyl)-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isoamyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC(C)C

InChI

InChI=1S/C23H22N2O2S/c1-14(2)12-13-25-21(16-9-5-4-8-15(16)3)24-22-19(23(25)27)20(26)17-10-6-7-11-18(17)28-22/h4-11,14H,12-13H2,1-3H3