3-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C20H25N7 MolecularWeight: 363.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

InChI

InChI=1S/C20H25N7/c1-2-3-6-16-7-9-17(10-8-16)26-19-18(23)20(25-15-24-19)27(13-4-11-21)14-5-12-22/h7-10,15H,2-6,13-14,23H2,1H3,(H,24,25,26)