5-[(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3,5-dimethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-dimethoxy-4-(1-pyrrolyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,5-dimethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,5-dimethoxy-4-pyrrol-1-yl-benzyl)pyrimidin-4-yl]amine Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1N2C=CC=C2)OC)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC(=C1N2C=CC=C2)OC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C17H19N5O2/c1-23-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(24-2)15(13)22-5-3-4-6-22/h3-6,8-10H,7H2,1-2H3,(H4,18,19,20,21)