5-nitro-N4-(phenylmethyl)-N6-prop-2-enyl-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-prop-2-enyl-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-benzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-prop-2-enyl-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-prop-2-enyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(allylamino)-5-nitro-pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O2/c1-2-11-21-18-17(25(26)27)19(23-14-22-18)24(16-10-6-7-12-20-16)13-15-8-4-3-5-9-15/h2-10,12,14H,1,11,13H2,(H,21,22,23)