3,7-dimethyl-4-oxidanylidene-1-(phenylmethyl)-N-pyrimidin-2-yl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3,7-dimethyl-4-oxidanylidene-1-(phenylmethyl)-N-pyrimidin-2-yl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxamide Openeye Name: 1-benzyl-3,7-dimethyl-4-oxo-N-pyrimidin-2-yl-2-thioxo-pyrido[2,3-d]pyrimidine-6-carboxamide CAS Name: 3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-(2-pyrimidinyl)-2-sulfanylidene-6-pyrido[2,3-d]pyrimidinecarboxamide IUPAC Name: 1-benzyl-3,7-dimethyl-4-oxo-N-pyrimidin-2-yl-2-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxamide Traditional Name: 1-benzyl-4-keto-3,7-dimethyl-N-(2-pyrimidyl)-2-thioxo-pyrido[2,3-d]pyrimidine-6-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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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)NC4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C2C(=N1)N(C(=S)N(C2=O)C)CC3=CC=CC=C3)C(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H18N6O2S/c1-13-15(18(28)25-20-22-9-6-10-23-20)11-16-17(24-13)27(21(30)26(2)19(16)29)12-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H,22,23,25,28)