4-[(4-chlorophenyl)amino]-6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-2-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 4-(4-chloroanilino)-6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-2-carbonitrile CAS Name: 4-(4-chloroanilino)-6-[3-(1-pyrrolidinyl)propylamino]-2-pyrimidinecarbonitrile IUPAC Name: 4-(4-chloroanilino)-6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 4-(4-chloroanilino)-6-(3-pyrrolidinopropylamino)pyrimidine-2-carbonitrile Formula: C18H21ClN6 MolecularWeight: 356.85254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC(=C2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC(=C2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H21ClN6/c19-14-4-6-15(7-5-14)22-17-12-16(23-18(13-20)24-17)21-8-3-11-25-9-1-2-10-25/h4-7,12H,1-3,8-11H2,(H2,21,22,23,24)