1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxidopyridin-1-ium-3-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxido-3-pyridin-1-iumyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxidopyridin-1-ium-3-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-1-[3-(2-hydroxyethyl)phenyl]-3-(1-oxidopyridin-1-ium-3-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=C[N+](=CC=C3)[O-])C4=CC=CC(=C4)CCO)NC5=CC=CC=C5

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=C[N+](=CC=C3)[O-])C4=CC=CC(=C4)CCO)NC5=CC=CC=C5

InChI

InChI=1S/C25H22N6O3/c32-13-11-18-6-4-9-21(14-18)31-23-19(15-26-24(28-23)27-20-7-2-1-3-8-20)16-30(25(31)33)22-10-5-12-29(34)17-22/h1-10,12,14-15,17,32H,11,13,16H2,(H,26,27,28)