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

Systemtic Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-benzyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-(4-phenylmethoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-benzoxyphenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C24H21N5O2S MolecularWeight: 443.52084

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O2S/c1-16-21-22(18-8-10-19(11-9-18)31-14-17-6-3-2-4-7-17)32-15-20(30)27-23(21)29(28-16)24-25-12-5-13-26-24/h2-13,22,28H,14-15H2,1H3