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

Systemtic Name: 3-(3-methylbutyl)-2-thiophen-2-yl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isopentyl-2-(2-thienyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methylbutyl)-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methylbutyl)-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isoamyl-2-(2-thienyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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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=CS4

Isomeric SMILES

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C20H18N2O2S2/c1-12(2)9-10-22-18(15-8-5-11-25-15)21-19-16(20(22)24)17(23)13-6-3-4-7-14(13)26-19/h3-8,11-12H,9-10H2,1-2H3