5-[(7-methyl-8-pyrrol-1-yl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine ethanoate

Systemtic Name: 5-[(7-methyl-8-pyrrol-1-yl-quinolin-5-yl)methyl]pyrimidine-2,4-diamine ethanoate Openeye Name: 5-[(7-methyl-8-pyrrol-1-yl-5-quinolyl)methyl]pyrimidine-2,4-diamine acetate CAS Name: 5-[[7-methyl-8-(1-pyrrolyl)-5-quinolinyl]methyl]pyrimidine-2,4-diamine acetate IUPAC Name: 5-[(7-methyl-8-pyrrol-1-ylquinolin-5-yl)methyl]pyrimidine-2,4-diamine acetate Traditional Name: [2-amino-5-[(7-methyl-8-pyrrol-1-yl-5-quinolyl)methyl]pyrimidin-4-yl]amine acetate Formula: C21H21N6O2- MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)N4C=CC=C4.CC(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=CC=N2)C(=C1)CC3=CN=C(N=C3N)N)N4C=CC=C4.CC(=O)[O-]

InChI

InChI=1S/C19H18N6.C2H4O2/c1-12-9-13(10-14-11-23-19(21)24-18(14)20)15-5-4-6-22-16(15)17(12)25-7-2-3-8-25;1-2(3)4/h2-9,11H,10H2,1H3,(H4,20,21,23,24);1H3,(H,3,4)/p-1