1-[2-(1-oxidanylheptadecyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[2-(1-oxidanylheptadecyl)-4-oxidanylidene-quinazolin-3-yl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(1-hydroxyheptadecyl)-4-oxo-quinazolin-3-yl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(1-hydroxyheptadecyl)-4-oxo-3-quinazolinyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(1-hydroxyheptadecyl)-4-oxoquinazolin-3-yl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(1-hydroxyheptadecyl)-4-keto-quinazolin-3-yl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C35H46N4O4S MolecularWeight: 618.82914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4)O

InChI

InChI=1S/C35H46N4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-30(40)33-36-29-24-20-19-23-28(29)34(43)39(33)38-32(42)26-31(41)37(35(38)44)27-21-16-15-17-22-27/h15-17,19-24,30,40H,2-14,18,25-26H2,1H3