6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propylcyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-4-propyl-cyclohexa-2,4-dien-1-one Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1OC

Isomeric SMILES

CCCC1=CC(=C2C(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1OC

InChI

InChI=1S/C24H27N3O4/c1-4-6-15-11-17(18(28)13-20(15)29-3)23-22(14(2)26-24(25)27-23)16-7-8-19-21(12-16)31-10-5-9-30-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H3,25,26,27)