5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[7-methoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-yl]amine Formula: C21H22N6O3 MolecularWeight: 406.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CN(C2)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(CN(C2)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c1-30-17-5-6-18-14(8-17)10-26(11-15-9-24-21(23)25-20(15)22)12-19(18)13-3-2-4-16(7-13)27(28)29/h2-9,19H,10-12H2,1H3,(H4,22,23,24,25)