4-[(4-chlorophenyl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-2-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-2-carbonitrile Openeye Name: 4-(4-chloroanilino)-6-(4-pyrrolidin-1-yl-1-piperidyl)pyrimidine-2-carbonitrile CAS Name: 4-(4-chloroanilino)-6-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(4-chloroanilino)-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-2-carbonitrile Traditional Name: 4-(4-chloroanilino)-6-(4-pyrrolidinopiperidino)pyrimidine-2-carbonitrile Formula: C20H23ClN6 MolecularWeight: 382.88982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=CC(=NC(=N3)C#N)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=CC(=NC(=N3)C#N)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN6/c21-15-3-5-16(6-4-15)23-18-13-20(25-19(14-22)24-18)27-11-7-17(8-12-27)26-9-1-2-10-26/h3-6,13,17H,1-2,7-12H2,(H,23,24,25)