4-[(4-chlorophenyl)amino]-5-methoxy-6-(3-oxidanylidenepiperazin-1-yl)pyrimidine-2-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-5-methoxy-6-(3-oxidanylidenepiperazin-1-yl)pyrimidine-2-carbonitrile Openeye Name: 4-(4-chloroanilino)-5-methoxy-6-(3-oxopiperazin-1-yl)pyrimidine-2-carbonitrile CAS Name: 4-(4-chloroanilino)-5-methoxy-6-(3-oxo-1-piperazinyl)-2-pyrimidinecarbonitrile IUPAC Name: 4-(4-chloroanilino)-5-methoxy-6-(3-oxopiperazin-1-yl)pyrimidine-2-carbonitrile Traditional Name: 4-(4-chloroanilino)-6-(3-ketopiperazino)-5-methoxy-pyrimidine-2-carbonitrile Formula: C16H15ClN6O2 MolecularWeight: 358.7823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCNC(=O)C3

Isomeric SMILES

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCNC(=O)C3

InChI

InChI=1S/C16H15ClN6O2/c1-25-14-15(20-11-4-2-10(17)3-5-11)21-12(8-18)22-16(14)23-7-6-19-13(24)9-23/h2-5H,6-7,9H2,1H3,(H,19,24)(H,20,21,22)