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

Systemtic Name: 6-[[2-[6-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]hydrazinyl]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[2-(benzylamino)-6-methyl-pyrimidin-4-yl]hydrazino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[6-methyl-2-[(phenylmethyl)amino]-4-pyrimidinyl]hydrazo]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[2-(benzylamino)-6-methylpyrimidin-4-yl]hydrazinyl]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[2-(benzylamino)-6-methyl-pyrimidin-4-yl]hydrazino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H25N5O2/c1-3-11-29-19-10-9-18(20(28)13-19)15-24-27-21-12-16(2)25-22(26-21)23-14-17-7-5-4-6-8-17/h4-10,12-13,15,24H,3,11,14H2,1-2H3,(H2,23,25,26,27)