N-[2-(4-ethylphenyl)ethyl]-5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-amine

Systemtic Name: N-[2-(4-ethylphenyl)ethyl]-5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-amine Openeye Name: N-[2-(4-ethylphenyl)ethyl]-5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-amine CAS Name: N-[2-(4-ethylphenyl)ethyl]-5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-pyrimidinamine IUPAC Name: N-[2-(4-ethylphenyl)ethyl]-5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-amine Traditional Name: 2-(4-ethylphenyl)ethyl-[5-nitro-6-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)pyrimidin-4-yl]amine Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=C(C3)NC5=CC=CC=C45

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=C(C3)NC5=CC=CC=C45

InChI

InChI=1S/C25H26N6O2/c1-2-17-7-9-18(10-8-17)11-13-26-24-23(31(32)33)25(28-16-27-24)30-14-12-20-19-5-3-4-6-21(19)29-22(20)15-30/h3-10,16,29H,2,11-15H2,1H3,(H,26,27,28)