N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN5O2/c1-13(15-5-3-2-4-6-15)24-19-17(25(26)27)18(22-12-23-19)21-11-14-7-9-16(20)10-8-14/h2-10,12-13H,11H2,1H3,(H2,21,22,23,24)