6-azanyl-5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-benzyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-benzylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(1,3-benzothiazol-2-ylthio)acetyl]-1-benzyl-pyrimidine-2,4-quinone Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H16N4O3S2/c21-17-16(14(25)11-28-20-22-13-8-4-5-9-15(13)29-20)18(26)23-19(27)24(17)10-12-6-2-1-3-7-12/h1-9H,10-11,21H2,(H,23,26,27)