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

Systemtic Name: 3-methyl-4-phenyl-1-(7H-purin-6-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-methyl-4-phenyl-1-(7H-purin-6-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-4-phenyl-1-(7H-purin-6-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-4-phenyl-1-(7H-purin-6-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-methyl-4-phenyl-1-(7H-purin-6-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H15N7OS MolecularWeight: 377.423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7OS/c1-10-13-15(11-5-3-2-4-6-11)27-7-12(26)23-17(13)25(24-10)18-14-16(20-8-19-14)21-9-22-18/h2-6,8-9,15,24H,7H2,1H3,(H,19,20,21,22)