4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,7-bis(phenylmethyl)-7,8-dihydropteridin-6-one

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,7-bis(phenylmethyl)-7,8-dihydropteridin-6-one Openeye Name: 5,7-dibenzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dihydropteridin-6-one CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,7-bis(phenylmethyl)-7,8-dihydropteridin-6-one IUPAC Name: 5,7-dibenzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dihydropteridin-6-one Traditional Name: 5,7-dibenzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dihydropteridin-6-one Formula: C29H27N5O MolecularWeight: 461.55758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3N(C(=O)C(N4)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N5O/c35-29-25(17-21-9-3-1-4-10-21)32-27-26(34(29)18-22-11-5-2-6-12-22)28(31-20-30-27)33-16-15-23-13-7-8-14-24(23)19-33/h1-14,20,25H,15-19H2,(H,30,31,32)