3-azanyl-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-2-yl]-N-propan-2-yl-benzamide

Systemtic Name: 3-azanyl-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-2-yl]-N-propan-2-yl-benzamide Openeye Name: 3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-5-(isopropylamino)-6-oxo-pyrazin-2-yl]-N-isopropyl-benzamide CAS Name: 3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-oxo-5-(propan-2-ylamino)-2-pyrazinyl]-N-propan-2-ylbenzamide IUPAC Name: 3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-oxo-5-(propan-2-ylamino)pyrazin-2-yl]-N-propan-2-ylbenzamide Traditional Name: 3-[1-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-5-(isopropylamino)-6-keto-pyrazin-2-yl]-5-amino-N-isopropyl-benzamide Formula: C27H34N8O3 MolecularWeight: 518.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)NC(C)C

Isomeric SMILES

CC(C)NC1=NC=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)NC(C)C

InChI

InChI=1S/C27H34N8O3/c1-15(2)33-25-27(38)35(14-23(36)31-12-17-5-7-18(8-6-17)24(29)30)22(13-32-25)19-9-20(11-21(28)10-19)26(37)34-16(3)4/h5-11,13,15-16H,12,14,28H2,1-4H3,(H3,29,30)(H,31,36)(H,32,33)(H,34,37)