4-[(3-methylphenyl)amino]-2-[[4-[(3S)-3-oxidanylpiperidin-1-yl]phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-methylphenyl)amino]-2-[[4-[(3S)-3-oxidanylpiperidin-1-yl]phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-[(3S)-3-hydroxy-1-piperidyl]anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide CAS Name: 2-[4-[(3S)-3-hydroxy-1-piperidinyl]anilino]-4-(3-methylanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[(3S)-3-hydroxypiperidin-1-yl]anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[4-[(3S)-3-hydroxypiperidino]anilino]-4-(m-toluidino)pyrimidine-5-carboxamide Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCCC(C4)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C23H26N6O2/c1-15-4-2-5-17(12-15)26-22-20(21(24)31)13-25-23(28-22)27-16-7-9-18(10-8-16)29-11-3-6-19(30)14-29/h2,4-5,7-10,12-13,19,30H,3,6,11,14H2,1H3,(H2,24,31)(H2,25,26,27,28)/t19-/m0/s1