4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)pyrimidine-2-carbonitrile

Systemtic Name: 4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)pyrimidine-2-carbonitrile Openeye Name: 4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)pyrimidine-2-carbonitrile CAS Name: 4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)-2-pyrimidinecarbonitrile IUPAC Name: 4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)pyrimidine-2-carbonitrile Traditional Name: 4-(cyclopentylamino)-5-(4-phenylbut-1-ynyl)pyrimidine-2-carbonitrile Formula: C20H20N4 MolecularWeight: 316.3996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC=C2C#CCCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC=C2C#CCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N4/c21-14-19-22-15-17(20(24-19)23-18-12-6-7-13-18)11-5-4-10-16-8-2-1-3-9-16/h1-3,8-9,15,18H,4,6-7,10,12-13H2,(H,22,23,24)