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

Systemtic Name: 1,3-dimethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-23-17-15(19(27)24(2)20(23)28)18(29-12-14(26)25-10-6-7-11-25)22-16(21-17)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3