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

Systemtic Name: 2-[2,5-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]-3-thiophen-3-yl-propanal Openeye Name: 2-(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)-3-(3-thienyl)propanal CAS Name: 2-(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)-3-(3-thiophenyl)propanal IUPAC Name: 2-(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)-3-thiophen-3-ylpropanal Traditional Name: 2-(2,5-diamino-4-keto-1H-pyrimidin-6-yl)-3-(3-thienyl)propionaldehyde Formula: C11H12N4O2S MolecularWeight: 266.296122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC(C=O)C2=C(C(=O)N=C(N2)N)N

Isomeric SMILES

C1=CSC=C1CC([14CH]=O)C2=C(C(=O)N=C(N2)N)N

InChI

InChI=1S/C11H12N4O2S/c12-8-9(14-11(13)15-10(8)17)7(4-16)3-6-1-2-18-5-6/h1-2,4-5,7H,3,12H2,(H3,13,14,15,17)/i4+2