N4-cycloheptyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c24-23(25)16-17(19-12-14-8-4-3-5-9-14)20-13-21-18(16)22-15-10-6-1-2-7-11-15/h3-5,8-9,13,15H,1-2,6-7,10-12H2,(H2,19,20,21,22)