1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-13(24)14-5-4-6-15(11-14)21-17-16(23(25)26)18(20-12-19-17)22(7-9-27-2)8-10-28-3/h4-6,11-12H,7-10H2,1-3H3,(H,19,20,21)