3-butyl-2-methyl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 3-butyl-2-methyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-butyl-2-methyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-butyl-2-methylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-butyl-2-methylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-butyl-2-methyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H16N2O2S/c1-3-4-9-18-10(2)17-15-13(16(18)20)14(19)11-7-5-6-8-12(11)21-15/h5-8H,3-4,9H2,1-2H3