N-[(4-carbamimidoylphenyl)methyl]-4-oxidanylidene-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-4-oxidanylidene-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-4-oxo-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-4-oxo-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-4-oxo-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Traditional Name: N-(4-amidinobenzyl)-4-keto-8-propyl-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(N2C1=NC=C(C2=O)NCCC)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC1CC(N2C1=NC=C(C2=O)NCCC)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H30N6O2/c1-3-5-16-11-18(28-20(16)26-13-17(22(28)30)25-10-4-2)21(29)27-12-14-6-8-15(9-7-14)19(23)24/h6-9,13,16,18,25H,3-5,10-12H2,1-2H3,(H3,23,24)(H,27,29)