4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-phenylethylamino)pyrimidine-5-carbonitrile Formula: C22H21N5 MolecularWeight: 355.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=C(C(=N2)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C22H21N5/c1-16(17-7-3-2-4-8-17)25-22-24-14-20(13-23)21(26-22)27-12-11-18-9-5-6-10-19(18)15-27/h2-10,14,16H,11-12,15H2,1H3,(H,24,25,26)