3-(3-azanylpropylamino)-1-chloranyl-8,8-dimethyl-4-oxidanylidene-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

Systemtic Name: 3-(3-azanylpropylamino)-1-chloranyl-8,8-dimethyl-4-oxidanylidene-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Openeye Name: 3-(3-aminopropylamino)-1-chloro-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid CAS Name: 3-(3-aminopropylamino)-1-chloro-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid IUPAC Name: 3-(3-aminopropylamino)-1-chloro-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Traditional Name: 3-(3-aminopropylamino)-1-chloro-4-keto-8,8-dimethyl-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Formula: C13H19ClN4O3 MolecularWeight: 314.76796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N2C1=C(N=C(C2=O)NCCCN)Cl)C(=O)O)C

Isomeric SMILES

CC1(CC(N2C1=C(N=C(C2=O)NCCCN)Cl)C(=O)O)C

InChI

InChI=1S/C13H19ClN4O3/c1-13(2)6-7(12(20)21)18-8(13)9(14)17-10(11(18)19)16-5-3-4-15/h7H,3-6,15H2,1-2H3,(H,16,17)(H,20,21)