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

Systemtic Name: 1,3-dimethyl-7-(4-methylphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-(p-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(4-methylphenyl)-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(4-methylphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-7-(p-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)N4CCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)N4CCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H23N5O3S/c1-13-6-8-14(9-7-13)17-22-18-16(20(28)25(3)21(29)24(18)2)19(23-17)30-12-15(27)26-10-4-5-11-26/h6-9H,4-5,10-12H2,1-3H3