5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-5-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC(=CC=C3)OC)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC(=CC=C3)OC)C(=O)N(C1=O)C

InChI

InChI=1S/C22H26N4O4S/c1-6-10-26-19-17(21(28)25(4)22(26)29)20(24-18(23-19)13(2)3)31-12-16(27)14-8-7-9-15(11-14)30-5/h7-9,11,13H,6,10,12H2,1-5H3