2-azanyl-N-[6-azanyl-5-[[bis(azanyl)methylideneamino]methyl]-3-chloranyl-pyrazin-2-yl]-3-phenylmethoxy-propanamide

Systemtic Name: 2-azanyl-N-[6-azanyl-5-[[bis(azanyl)methylideneamino]methyl]-3-chloranyl-pyrazin-2-yl]-3-phenylmethoxy-propanamide Openeye Name: 2-amino-N-[6-amino-3-chloro-5-(guanidinomethyl)pyrazin-2-yl]-3-benzyloxy-propanamide CAS Name: 2-amino-N-[6-amino-3-chloro-5-[(diaminomethylideneamino)methyl]-2-pyrazinyl]-3-phenylmethoxypropanamide IUPAC Name: 2-amino-N-[6-amino-3-chloro-5-[(diaminomethylideneamino)methyl]pyrazin-2-yl]-3-phenylmethoxypropanamide Traditional Name: 2-amino-N-[6-amino-3-chloro-5-(guanidinomethyl)pyrazin-2-yl]-3-benzoxy-propionamide Formula: C16H21ClN8O2 MolecularWeight: 392.84334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)NC2=NC(=C(N=C2Cl)CN=C(N)N)N)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)NC2=NC(=C(N=C2Cl)CN=C(N)N)N)N

InChI

InChI=1S/C16H21ClN8O2/c17-12-14(24-13(19)11(23-12)6-22-16(20)21)25-15(26)10(18)8-27-7-9-4-2-1-3-5-9/h1-5,10H,6-8,18H2,(H4,20,21,22)(H3,19,24,25,26)