2-azanyl-3-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]benzaldehyde

Systemtic Name: 2-azanyl-3-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]benzaldehyde Openeye Name: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde CAS Name: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde IUPAC Name: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde Traditional Name: 2-amino-3-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]benzaldehyde Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCC2=C(NC(=NC2=O)N)N)N)C=O

Isomeric SMILES

C1=CC(=C(C(=C1)CCCC2=C(NC(=NC2=O)N)N)N)C=O

InChI

InChI=1S/C14H17N5O2/c15-11-8(3-1-5-9(11)7-20)4-2-6-10-12(16)18-14(17)19-13(10)21/h1,3,5,7H,2,4,6,15H2,(H5,16,17,18,19,21)