4-(butylamino)-2-[[3-[ethanoyl(methyl)amino]phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(butylamino)-2-[[3-[ethanoyl(methyl)amino]phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[3-[acetyl(methyl)amino]anilino]-4-(butylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-[acetyl(methyl)amino]anilino]-4-(butylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-[acetyl(methyl)amino]anilino]-4-(butylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-[acetyl(methyl)amino]anilino]-4-(butylamino)pyrimidine-5-carboxamide Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C(=O)N)NC2=CC(=CC=C2)N(C)C(=O)C

Isomeric SMILES

CCCCNC1=NC(=NC=C1C(=O)N)NC2=CC(=CC=C2)N(C)C(=O)C

InChI

InChI=1S/C18H24N6O2/c1-4-5-9-20-17-15(16(19)26)11-21-18(23-17)22-13-7-6-8-14(10-13)24(3)12(2)25/h6-8,10-11H,4-5,9H2,1-3H3,(H2,19,26)(H2,20,21,22,23)