N-(3-methoxyphenyl)-6-methyl-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-methoxyphenyl)-6-methyl-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-6-methyl-2-[(3R)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-6-methyl-2-[(3R)-3-methyl-1-piperidinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-6-methyl-2-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (3-methoxyphenyl)-[6-methyl-2-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O3/c1-12-6-5-9-22(11-12)18-19-13(2)16(23(24)25)17(21-18)20-14-7-4-8-15(10-14)26-3/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,19,20,21)/t12-/m1/s1