1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-ynyl-amino]ethylamino]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-ynyl-amino]ethylamino]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-ynyl-amino]ethylamino]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-ynylamino]ethylamino]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-ynylamino]ethylamino]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-propargyl-amino]ethylamino]pyrimidine-2,4-quinone Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CC#C

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H25N5O4/c1-4-12-24(13-5-6-16-7-9-17(10-8-16)25(28)29)14-11-21-18-15-19(26)23(3)20(27)22(18)2/h1,7-10,15,21H,5-6,11-14H2,2-3H3