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

Systemtic Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenyl)butyl-prop-2-enyl-amino]ethylamino]pyrimidine-2,4-dione Openeye Name: 6-[2-[allyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenyl)butyl-prop-2-enylamino]ethylamino]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[2-[4-(4-nitrophenyl)butyl-prop-2-enylamino]ethylamino]pyrimidine-2,4-dione Traditional Name: 6-[2-[allyl-[4-(4-nitrophenyl)butyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCCC2=CC=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCCC2=CC=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C21H29N5O4/c1-4-13-25(14-6-5-7-17-8-10-18(11-9-17)26(29)30)15-12-22-19-16-20(27)24(3)21(28)23(19)2/h4,8-11,16,22H,1,5-7,12-15H2,2-3H3