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

Systemtic Name: 3-methyl-1-(7H-purin-6-yl)-4-thiophen-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-1-(7H-purin-6-yl)-4-(2-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-1-(7H-purin-6-yl)-4-thiophen-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-1-(7H-purin-6-yl)-4-thiophen-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-1-(7H-purin-6-yl)-4-(2-thienyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C16H13N7OS2 MolecularWeight: 383.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CC=CS5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=NC4=C3NC=N4)C5=CC=CS5

InChI

InChI=1S/C16H13N7OS2/c1-8-11-13(9-3-2-4-25-9)26-5-10(24)21-15(11)23(22-8)16-12-14(18-6-17-12)19-7-20-16/h2-4,6-7,13,22H,5H2,1H3,(H,17,18,19,20)