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

Systemtic Name: 7-cyclopropyl-5-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopropyl-5-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-5-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopropyl-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopropyl-5-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)C4=C(C=CC(=C4)C)C)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)C4=C(C=CC(=C4)C)C)C(=O)N(C1=O)C

InChI

InChI=1S/C23H26N4O3S/c1-5-10-27-20-18(22(29)26(4)23(27)30)21(25-19(24-20)15-8-9-15)31-12-17(28)16-11-13(2)6-7-14(16)3/h6-7,11,15H,5,8-10,12H2,1-4H3