N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methoxyphenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-anisylamino)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3/c1-28-16-7-5-15(6-8-16)13-21-19-17(25(26)27)18(22-14-23-19)20-9-12-24-10-3-2-4-11-24/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,23)