6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(2-thenyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=O)C=C(N2)CN3CCC4=CC=CC=C4C3)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=O)C=C(N2)CN3CCC4=CC=CC=C4C3)CC5=CC=CS5

InChI

InChI=1S/C24H29N5OS/c30-23-15-21(17-28-11-8-19-5-1-2-6-20(19)16-28)25-24(26-23)29-10-4-9-27(12-13-29)18-22-7-3-14-31-22/h1-3,5-7,14-15H,4,8-13,16-18H2,(H,25,26,30)