4-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H19N5O4S MolecularWeight: 413.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-10-15-17(11-7-12(27-2)16(26)13(8-11)28-3)29-9-14(25)22-18(15)24(23-10)19-20-5-4-6-21-19/h4-8,17,23,26H,9H2,1-3H3