6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-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)-1H-pyrimidin-6-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)-1H-pyrimidin-6-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)-1H-pyrimidin-6-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)-1H-pyrimidin-6-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)-1H-pyrimidin-6-ylidene]-3-methoxy-4-propyl-cyclohexa-2,4-dien-1-one Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-3-5-15-10-16(18(27)12-20(15)28-2)22-17(13-25-23(24)26-22)14-6-7-19-21(11-14)30-9-4-8-29-19/h6-7,10-13H,3-5,8-9H2,1-2H3,(H3,24,25,26)