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

Systemtic Name: 4-(3-azanylpyrrolidin-1-yl)-6-[(4-chlorophenyl)amino]-5-methoxy-pyrimidine-2-carbonitrile Openeye Name: 4-(3-aminopyrrolidin-1-yl)-6-(4-chloroanilino)-5-methoxy-pyrimidine-2-carbonitrile CAS Name: 4-(3-amino-1-pyrrolidinyl)-6-(4-chloroanilino)-5-methoxy-2-pyrimidinecarbonitrile IUPAC Name: 4-(3-aminopyrrolidin-1-yl)-6-(4-chloroanilino)-5-methoxypyrimidine-2-carbonitrile Traditional Name: 4-(3-aminopyrrolidino)-6-(4-chloroanilino)-5-methoxy-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)N3CCC(C3)N

Isomeric SMILES

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCC(C3)N

InChI

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