7-methyl-2-[1-(phenylmethyl)indol-3-yl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-methyl-2-[1-(phenylmethyl)indol-3-yl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-benzylindol-3-yl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-methyl-2-[1-(phenylmethyl)-3-indolyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1-benzylindol-3-yl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(1-benzylindol-3-yl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C26H25N3OS/c1-16-11-12-19-22(13-16)31-26-23(19)25(30)27-24(28-26)20-15-29(14-17-7-3-2-4-8-17)21-10-6-5-9-18(20)21/h2-10,15-16,24,28H,11-14H2,1H3,(H,27,30)