2-[[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-5-nitro-pyrimidin-4-yl]-cyclopropyl-amine Formula: C20H23N9O2 MolecularWeight: 421.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C20H23N9O2/c21-18-14-3-1-2-4-15(14)24-17(25-18)12-27-7-9-28(10-8-27)20-22-11-16(29(30)31)19(26-20)23-13-5-6-13/h1-4,11,13H,5-10,12H2,(H2,21,24,25)(H,22,23,26)