5-nitro-N6-(oxolan-2-ylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(tetrahydrofurfuryl)amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-12(2)13-5-7-14(8-6-13)22-18-16(23(24)25)17(20-11-21-18)19-10-15-4-3-9-26-15/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,19,20,21,22)