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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC1CNCC2=CN=C(N=C2C3CC3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)O.C1CC1CNCC2=CN=C(N=C2C3CC3)NC4=CC(=CC=C4)Cl

InChI

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