1,7-dicyclopropyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[[2-(4-methylphenyl)-2-oxoethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[[2-keto-2-(p-tolyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

InChI

InChI=1S/C21H20N4O3S/c1-11-2-4-12(5-3-11)15(26)10-29-20-16-18(22-17(23-20)13-6-7-13)25(14-8-9-14)21(28)24-19(16)27/h2-5,13-14H,6-10H2,1H3,(H,24,27,28)