N-(3-bromophenyl)-3-oxidanylidene-butanamide; 5-[(2-methoxy-4-methyl-quinolin-7-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N-(3-bromophenyl)-3-oxidanylidene-butanamide; 5-[(2-methoxy-4-methyl-quinolin-7-yl)methyl]pyrimidine-2,4-diamine Openeye Name: N-(3-bromophenyl)-3-oxo-butanamide; 5-[(2-methoxy-4-methyl-7-quinolyl)methyl]pyrimidine-2,4-diamine CAS Name: N-(3-bromophenyl)-3-oxobutanamide; 5-[(2-methoxy-4-methyl-7-quinolinyl)methyl]pyrimidine-2,4-diamine IUPAC Name: N-(3-bromophenyl)-3-oxobutanamide; 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-methoxy-4-methyl-7-quinolyl)methyl]pyrimidin-4-yl]amine; N-(3-bromophenyl)-3-keto-butyramide Formula: C26H27BrN6O3 MolecularWeight: 551.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)CC3=CN=C(N=C3N)N)OC.CC(=O)CC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)CC3=CN=C(N=C3N)N)OC.CC(=O)CC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H17N5O.C10H10BrNO2/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17;1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21);2-4,6H,5H2,1H3,(H,12,14)