4-(3,4-dimethoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C19H19N5O3S/c1-11-16-17(12-5-6-13(26-2)14(9-12)27-3)28-10-15(25)22-18(16)24(23-11)19-20-7-4-8-21-19/h4-9,17,23H,10H2,1-3H3