4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine Openeye Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine CAS Name: 4-(4-methyl-1-piperazinyl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine IUPAC Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine Traditional Name: 4-(4-methylpiperazino)-5-nitro-6-(4-propoxyphenoxy)pyrimidine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C18H23N5O4/c1-3-12-26-14-4-6-15(7-5-14)27-18-16(23(24)25)17(19-13-20-18)22-10-8-21(2)9-11-22/h4-7,13H,3,8-12H2,1-2H3