N-(2,4-dichlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,4-dichlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,4-dichlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dichlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,4-dichlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (2,4-dichlorophenyl)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C19H15Cl2N5O2 MolecularWeight: 416.2607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15Cl2N5O2/c20-14-5-6-16(15(21)9-14)24-18-17(26(27)28)19(23-11-22-18)25-8-7-12-3-1-2-4-13(12)10-25/h1-6,9,11H,7-8,10H2,(H,22,23,24)