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

Systemtic Name: 6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OC)N=C(N1)N)C3=C4C(=CC=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OC)N=C(N1)N)C3=C4C(=CC=C3)OCCCO4

InChI

InChI=1S/C21H21N3O4/c1-12-18(15-5-3-6-17-20(15)28-10-4-9-27-17)19(24-21(22)23-12)14-8-7-13(26-2)11-16(14)25/h3,5-8,11H,4,9-10H2,1-2H3,(H3,22,23,24)