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

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-pyrrolidino-ethyl)thio]-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)OC)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC(=CC=C3)OC)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N5O4S/c1-24-18-16(20(28)25(2)21(24)29)19(31-12-15(27)26-9-4-5-10-26)23-17(22-18)13-7-6-8-14(11-13)30-3/h6-8,11H,4-5,9-10,12H2,1-3H3