3-[(3-hydroxyphenyl)methylamino]-4-[[(3Z)-4-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3-hydroxyphenyl)methylamino]-4-[[(3Z)-4-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3-hydroxyphenyl)methylamino]-4-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(3-hydroxyphenyl)methylamino]-4-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3-hydroxyphenyl)methylamino]-4-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(3-hydroxybenzyl)amino]-4-[[(3Z)-4-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=CC(=C4NC=CC=N4)C(=O)C=C3

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=C/C(=C/4\NC=CC=N4)/C(=O)C=C3

InChI

InChI=1S/C21H16N4O4/c26-14-4-1-3-12(9-14)11-24-17-18(20(29)19(17)28)25-13-5-6-16(27)15(10-13)21-22-7-2-8-23-21/h1-10,22,24-26H,11H2/b21-15-