4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-methyl-1-piperazinyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C18H23N5O3/c1-13(2)14-4-6-15(7-5-14)26-18-16(23(24)25)17(19-12-20-18)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3