1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

Systemtic Name: 1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione Openeye Name: 1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione CAS Name: 1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione IUPAC Name: 1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione Traditional Name: 1-butyl-6-methyl-3-(3-phenoxyphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O3/c1-3-4-13-27-20-18(21(28)26(2)22(29)24-20)23-19(25-27)15-9-8-12-17(14-15)30-16-10-6-5-7-11-16/h5-12,14H,3-4,13H2,1-2H3