6-[2-azanylethyl-[2-[(4-nitrophenyl)methyl]pent-4-ynyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[2-azanylethyl-[2-[(4-nitrophenyl)methyl]pent-4-ynyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[2-aminoethyl-[2-[(4-nitrophenyl)methyl]pent-4-ynyl]amino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[2-aminoethyl-[2-[(4-nitrophenyl)methyl]pent-4-ynyl]amino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[2-aminoethyl-[2-[(4-nitrophenyl)methyl]pent-4-ynyl]amino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[2-aminoethyl-[2-(4-nitrobenzyl)pent-4-ynyl]amino]-1,3-dimethyl-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)N(CCN)CC(CC#C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N(CCN)CC(CC#C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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