N-(3-chlorophenyl)-5-[(cyclobutylamino)methyl]-4-cyclopropyl-pyrimidin-2-amine; ethanoic acid

Systemtic Name: N-(3-chlorophenyl)-5-[(cyclobutylamino)methyl]-4-cyclopropyl-pyrimidin-2-amine; ethanoic acid Openeye Name: acetic acid; N-(3-chlorophenyl)-5-[(cyclobutylamino)methyl]-4-cyclopropyl-pyrimidin-2-amine CAS Name: acetic acid; N-(3-chlorophenyl)-5-[(cyclobutylamino)methyl]-4-cyclopropyl-2-pyrimidinamine IUPAC Name: acetic acid; N-(3-chlorophenyl)-5-[(cyclobutylamino)methyl]-4-cyclopropylpyrimidin-2-amine Traditional Name: acetic acid; [2-(3-chloroanilino)-4-cyclopropyl-pyrimidin-5-yl]methyl-cyclobutyl-amine Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC(C1)NCC2=CN=C(N=C2C3CC3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)O.C1CC(C1)NCC2=CN=C(N=C2C3CC3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H21ClN4.C2H4O2/c19-14-3-1-6-16(9-14)22-18-21-11-13(10-20-15-4-2-5-15)17(23-18)12-7-8-12;1-2(3)4/h1,3,6,9,11-12,15,20H,2,4-5,7-8,10H2,(H,21,22,23);1H3,(H,3,4)