3-ethoxy-6-[[2-[6-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-ethoxy-6-[[2-[6-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[2-(benzylamino)-6-methyl-pyrimidin-4-yl]hydrazino]methylene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 3-ethoxy-6-[[[6-methyl-2-[(phenylmethyl)amino]-4-pyrimidinyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinyl]methylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[2-(benzylamino)-6-methyl-pyrimidin-4-yl]hydrazino]methylene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=CNNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCOC1=CC(=O)C(=CNNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H23N5O2/c1-3-28-18-10-9-17(19(27)12-18)14-23-26-20-11-15(2)24-21(25-20)22-13-16-7-5-4-6-8-16/h4-12,14,23H,3,13H2,1-2H3,(H2,22,24,25,26)