[azanyl-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)azanium

Systemtic Name: [azanyl-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)azanium Openeye Name: [amino-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)ammonium CAS Name: [amino-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)ammonium IUPAC Name: [amino-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)azanium Traditional Name: [amino-(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylene]-(4-keto-6-propyl-1H-pyrimidin-2-yl)ammonium Formula: C16H20N5O3+ MolecularWeight: 330.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)[NH+]=C(N)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)[NH+]=C(N)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19N5O3/c1-2-3-10-9-14(22)20-16(19-10)21-15(17)18-11-4-5-12-13(8-11)24-7-6-23-12/h4-5,8-9H,2-3,6-7H2,1H3,(H4,17,18,19,20,21,22)/p+1