3-[3-[bis(azanyl)methylideneamino]propyl]-5-butyl-4,6-bis(oxidanylidene)-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]propyl]-5-butyl-4,6-bis(oxidanylidene)-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide Openeye Name: 5-butyl-3-(3-guanidinopropyl)-4,6-dioxo-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide CAS Name: 5-butyl-3-[3-(diaminomethylideneamino)propyl]-4,6-dioxo-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide IUPAC Name: 5-butyl-3-[3-(diaminomethylideneamino)propyl]-4,6-dioxo-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide Traditional Name: 5-butyl-3-(3-guanidinopropyl)-4,6-diketo-1-phenethyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide Formula: C23H34N6O3 MolecularWeight: 442.55446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(NC(C2C1=O)(CCCN=C(N)N)C(=O)N)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2C(NC(C2C1=O)(CCCN=C(N)N)C(=O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H34N6O3/c1-2-3-14-29-19(30)17-16(11-10-15-8-5-4-6-9-15)28-23(21(24)32,18(17)20(29)31)12-7-13-27-22(25)26/h4-6,8-9,16-18,28H,2-3,7,10-14H2,1H3,(H2,24,32)(H4,25,26,27)