4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-furylmethyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-furanylmethyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-furfuryl)-2-phenyl-pyrimidine-5-carboxamide Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=NC=C3C(=O)NCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=NC=C3C(=O)NCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2/c30-25(27-15-21-11-6-14-31-21)22-16-26-23(19-8-2-1-3-9-19)28-24(22)29-13-12-18-7-4-5-10-20(18)17-29/h1-11,14,16H,12-13,15,17H2,(H,27,30)