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

Systemtic Name: 3-methyl-4-(3-phenoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-4-(3-phenoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-(3-phenoxyphenyl)-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-(3-phenoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-4-(3-phenoxyphenyl)-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H19N5O2S/c1-15-20-21(16-7-5-10-18(13-16)30-17-8-3-2-4-9-17)31-14-19(29)26-22(20)28(27-15)23-24-11-6-12-25-23/h2-13,21,27H,14H2,1H3