N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O4/c19-13-4-2-1-3-11(13)8-20-17-16(24(25)26)18(22-9-21-17)23-12-5-6-14-15(7-12)28-10-27-14/h1-7,9H,8,10H2,(H2,20,21,22,23)