2-ethoxy-9-(4-nitrophenyl)-3-(phenylmethyl)pyrimido[1,6-a]pyrimidin-4-one

Systemtic Name: 2-ethoxy-9-(4-nitrophenyl)-3-(phenylmethyl)pyrimido[1,6-a]pyrimidin-4-one Openeye Name: 3-benzyl-2-ethoxy-9-(4-nitrophenyl)pyrimido[1,6-a]pyrimidin-4-one CAS Name: 2-ethoxy-9-(4-nitrophenyl)-3-(phenylmethyl)-4-pyrimido[1,6-a]pyrimidinone IUPAC Name: 3-benzyl-2-ethoxy-9-(4-nitrophenyl)pyrimido[1,6-a]pyrimidin-4-one Traditional Name: 3-benzyl-2-ethoxy-9-(4-nitrophenyl)pyrimido[1,6-a]pyrimidin-4-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N2C=NC=C(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=O)N2C=NC=C(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-2-30-21-18(12-15-6-4-3-5-7-15)22(27)25-14-23-13-19(20(25)24-21)16-8-10-17(11-9-16)26(28)29/h3-11,13-14H,2,12H2,1H3