3-methyl-1-(7H-purin-6-yl)-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-methyl-1-(7H-purin-6-yl)-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-1-(7H-purin-6-yl)-4-(3-pyridyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-1-(7H-purin-6-yl)-4-(3-pyridinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-1-(7H-purin-6-yl)-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-1-(7H-purin-6-yl)-4-(3-pyridyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C17H14N8OS MolecularWeight: 378.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CN=CC=C5

InChI

InChI=1S/C17H14N8OS/c1-9-12-14(10-3-2-4-18-5-10)27-6-11(26)23-16(12)25(24-9)17-13-15(20-7-19-13)21-8-22-17/h2-5,7-8,14,24H,6H2,1H3,(H,19,20,21,22)