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

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H24N4O5S MolecularWeight: 456.51476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H24N4O5S/c1-5-8-26-19-17(21(28)25(4)22(26)29)20(24-18(23-19)12(2)3)32-10-14(27)13-6-7-15-16(9-13)31-11-30-15/h6-7,9,12H,5,8,10-11H2,1-4H3