5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]amine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N6O2/c1-2-10-21-19-22-17(20)16(25(26)27)18(23-19)24-11-8-15(9-12-24)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H3,20,21,22,23)