2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)-1-pyrimidin-4-yl-pyrrolidine-2-carbonitrile

Systemtic Name: 2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)-1-pyrimidin-4-yl-pyrrolidine-2-carbonitrile Openeye Name: 2-acetyl-4-methyl-3-(4-piperidylamino)-1-pyrimidin-4-yl-pyrrolidine-2-carbonitrile CAS Name: 2-acetyl-4-methyl-3-(4-piperidinylamino)-1-(4-pyrimidinyl)-2-pyrrolidinecarbonitrile IUPAC Name: 2-acetyl-4-methyl-3-(piperidin-4-ylamino)-1-pyrimidin-4-ylpyrrolidine-2-carbonitrile Traditional Name: 2-acetyl-4-methyl-3-(4-piperidylamino)-1-(4-pyrimidyl)pyrrolidine-2-carbonitrile Formula: C17H24N6O MolecularWeight: 328.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=NC=C3

Isomeric SMILES

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=NC=C3

InChI

InChI=1S/C17H24N6O/c1-12-9-23(15-5-8-20-11-21-15)17(10-18,13(2)24)16(12)22-14-3-6-19-7-4-14/h5,8,11-12,14,16,19,22H,3-4,6-7,9H2,1-2H3