2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C18H21N7 MolecularWeight: 335.40624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7/c1-2-3-4-14-5-7-15(8-6-14)24-17-16(21)18(23-13-22-17)25(11-9-19)12-10-20/h5-8,13H,2-4,11-12,21H2,1H3,(H,22,23,24)