N4-(4-ethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-ethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-2-[(3R)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-2-[(3R)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC[C@H](C3)C

InChI

InChI=1S/C18H24N6O3/c1-3-27-14-8-6-13(7-9-14)20-17-15(24(25)26)16(19)21-18(22-17)23-10-4-5-12(2)11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H3,19,20,21,22)/t12-/m1/s1