3,7-dimethyl-1-(phenylmethyl)-6-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-6-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 1-benzyl-3,7-dimethyl-6-(pyrrolidine-1-carbonyl)-2-thioxo-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3,7-dimethyl-6-[oxo(1-pyrrolidinyl)methyl]-1-(phenylmethyl)-2-sulfanylidene-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 1-benzyl-3,7-dimethyl-6-(pyrrolidine-1-carbonyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one Traditional Name: 1-benzyl-3,7-dimethyl-6-(pyrrolidine-1-carbonyl)-2-thioxo-pyrido[2,3-d]pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=N1)N(C(=S)N(C2=O)C)CC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C(=N1)N(C(=S)N(C2=O)C)CC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-14-16(20(27)24-10-6-7-11-24)12-17-18(22-14)25(21(28)23(2)19(17)26)13-15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3