2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)CCO)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)CCO)C#N

InChI

InChI=1S/C18H21N5O3/c1-26-14-4-2-13(3-5-14)16-15(12-19)17(25)21-18(20-16)23-8-6-22(7-9-23)10-11-24/h2-5,24H,6-11H2,1H3,(H,20,21,25)