9-methoxy-2-methylsulfanyl-3-(phenylmethyl)chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 9-methoxy-2-methylsulfanyl-3-(phenylmethyl)chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-benzyl-9-methoxy-2-methylsulfanyl-chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 9-methoxy-2-(methylthio)-3-(phenylmethyl)[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-benzyl-9-methoxy-2-methylsulfanylchromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-benzyl-9-methoxy-2-(methylthio)chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2=O)C(=O)N(C(=N3)SC)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2=O)C(=O)N(C(=N3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4S/c1-25-14-10-6-9-13-16(23)15-18(26-17(13)14)21-20(27-2)22(19(15)24)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3