4-[(4-chlorophenyl)amino]-5-methoxy-6-piperazin-1-yl-pyrimidine-2-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-5-methoxy-6-piperazin-1-yl-pyrimidine-2-carbonitrile Openeye Name: 4-(4-chloroanilino)-5-methoxy-6-piperazin-1-yl-pyrimidine-2-carbonitrile CAS Name: 4-(4-chloroanilino)-5-methoxy-6-(1-piperazinyl)-2-pyrimidinecarbonitrile IUPAC Name: 4-(4-chloroanilino)-5-methoxy-6-piperazin-1-ylpyrimidine-2-carbonitrile Traditional Name: 4-(4-chloroanilino)-5-methoxy-6-piperazino-pyrimidine-2-carbonitrile Formula: C16H17ClN6O MolecularWeight: 344.79878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCNCC3

Isomeric SMILES

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCNCC3

InChI

InChI=1S/C16H17ClN6O/c1-24-14-15(20-12-4-2-11(17)3-5-12)21-13(10-18)22-16(14)23-8-6-19-7-9-23/h2-5,19H,6-9H2,1H3,(H,20,21,22)