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

Systemtic Name: (6S)-3-azanyl-N-[(4-carbamimidoylphenyl)methyl]-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Openeye Name: (6S)-3-amino-N-[(4-carbamimidoylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide CAS Name: (6S)-3-amino-N-[(4-carbamimidoylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide IUPAC Name: (6S)-3-amino-N-[(4-carbamimidoylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Traditional Name: (6S)-N-(4-amidinobenzyl)-3-amino-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC=C(C(=O)N2C1C(=O)NCC3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

C1CC2=NC=C(C(=O)N2[C@@H]1C(=O)NCC3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C16H18N6O2/c17-11-8-20-13-6-5-12(22(13)16(11)24)15(23)21-7-9-1-3-10(4-2-9)14(18)19/h1-4,8,12H,5-7,17H2,(H3,18,19)(H,21,23)/t12-/m0/s1