1-[4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N5O/c1-3-4-5-16-6-10-18(11-7-16)26-21-20(23)22(25-14-24-21)27-19-12-8-17(9-13-19)15(2)28/h6-14H,3-5,23H2,1-2H3,(H2,24,25,26,27)