3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-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-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-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-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-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-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-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-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC(=C4NC=CC=N4)C(=O)C=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=C/C(=C/4\NC=CC=N4)/C(=O)C=C3

InChI

InChI=1S/C22H18N4O4/c1-12(13-4-2-5-15(27)10-13)25-18-19(21(30)20(18)29)26-14-6-7-17(28)16(11-14)22-23-8-3-9-24-22/h2-12,23,25-27H,1H3/b22-16-/t12-/m1/s1