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

Systemtic Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-6-(4-dimethylaminophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C22H32N6O MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O/c1-6-28(7-2)14-8-9-16(3)24-22-25-20(19(15-23)21(29)26-22)17-10-12-18(13-11-17)27(4)5/h10-13,16H,6-9,14H2,1-5H3,(H2,24,25,26,29)