5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c25-24(26)16-17(19-9-12-23-10-5-2-6-11-23)21-14-22-18(16)20-13-15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13H2,(H2,19,20,21,22)