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

Systemtic Name: 4-(3-cyclopentyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-[3-(cyclopentoxy)phenyl]-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-cyclopentyloxyphenyl)-3-methyl-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-cyclopentyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-[3-(cyclopentoxy)phenyl]-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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(=CC=C4)OC5CCCC5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=CC=C4)OC5CCCC5

InChI

InChI=1S/C22H23N5O2S/c1-14-19-20(15-6-4-9-17(12-15)29-16-7-2-3-8-16)30-13-18(28)25-21(19)27(26-14)22-23-10-5-11-24-22/h4-6,9-12,16,20,26H,2-3,7-8,13H2,1H3