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

Systemtic Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[5-(diethylamino)pentan-2-ylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[4-(diethylamino)-1-methyl-butyl]amino]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C21H29N5O2 MolecularWeight: 383.48726

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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)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-5-26(6-2)13-7-8-15(3)23-21-24-19(18(14-22)20(27)25-21)16-9-11-17(28-4)12-10-16/h9-12,15H,5-8,13H2,1-4H3,(H2,23,24,25,27)