methyl (4S,5R)-4-(6-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5R)-4-(6-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(6-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(6-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(6-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C=C12)C3C(C(=C)NC(=O)N3)C(=O)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC(=C(C=C12)[C@@H]3[C@H](C(=C)NC(=O)N3)C(=O)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5O3/c1-10-13-9-14(16-15(19(27)29-3)11(2)22-20(28)23-16)17(21)24-18(13)26(25-10)12-7-5-4-6-8-12/h4-9,15-16H,2H2,1,3H3,(H2,22,23,28)/t15-,16+/m0/s1