2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-4-oxo-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-4-keto-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCN(CC)CCCC(C)NC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C21H29N5O/c1-5-26(6-2)13-7-8-16(4)23-21-24-19(18(14-22)20(27)25-21)17-11-9-15(3)10-12-17/h9-12,16H,5-8,13H2,1-4H3,(H2,23,24,25,27)