N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-methoxypropyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-methoxypropyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-29-13-7-12-22-19-18(26(27)28)20(24-15-23-19)25(17-10-5-6-11-21-17)14-16-8-3-2-4-9-16/h2-6,8-11,15H,7,12-14H2,1H3,(H,22,23,24)