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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N5O3S/c1-24-18-17(20(28)25(2)21(24)29)19(30-13-16(27)26-10-6-7-11-26)23-15(22-18)12-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3