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

Systemtic Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2-allyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-(2-prop-2-enoxyphenyl)-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(2-allyloxyphenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC=CC=C4OCC=C

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC=CC=C4OCC=C

InChI

InChI=1S/C20H19N5O2S/c1-3-11-27-15-8-5-4-7-14(15)18-17-13(2)24-25(20-21-9-6-10-22-20)19(17)23-16(26)12-28-18/h3-10,18,24H,1,11-12H2,2H3