5-nitro-N6-(oxolan-2-ylmethyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

InChI

InChI=1S/C17H21N5O3/c1-12(13-6-3-2-4-7-13)21-17-15(22(23)24)16(19-11-20-17)18-10-14-8-5-9-25-14/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H2,18,19,20,21)