N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-naphthalen-2-yl-4-oxidanylidene-1H-pyrimidine-2-carboxamide

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-naphthalen-2-yl-4-oxidanylidene-1H-pyrimidine-2-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-(2-naphthyl)-4-oxo-1H-pyrimidine-2-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-(2-naphthalenyl)-4-oxo-1H-pyrimidine-2-carboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-naphthalen-2-yl-4-oxo-1H-pyrimidine-2-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-4-keto-6-(2-naphthyl)-1H-pyrimidine-2-carboxamide Formula: C29H23N5O4 MolecularWeight: 505.52402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=NC(=O)C=C(N3)C4=CC5=CC=CC=C5C=C4)C6=C(C(=O)C6=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=NC(=O)C=C(N3)C4=CC5=CC=CC=C5C=C4)C6=C(C(=O)C6=O)N

InChI

InChI=1S/C29H23N5O4/c30-24-25(27(37)26(24)36)34-10-9-18-6-5-16(11-21(18)15-34)14-31-29(38)28-32-22(13-23(35)33-28)20-8-7-17-3-1-2-4-19(17)12-20/h1-8,11-13H,9-10,14-15,30H2,(H,31,38)(H,32,33,35)