carbamimidoyl-[1-[4-(3-methylindol-1-yl)-1-oxidanyl-butyl]imidazol-4-yl]carbamic acid

Systemtic Name: carbamimidoyl-[1-[4-(3-methylindol-1-yl)-1-oxidanyl-butyl]imidazol-4-yl]carbamic acid Openeye Name: carbamimidoyl-[1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazol-4-yl]carbamic acid CAS Name: carbamimidoyl-[1-[1-hydroxy-4-(3-methyl-1-indolyl)butyl]-4-imidazolyl]carbamic acid IUPAC Name: carbamimidoyl-[1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazol-4-yl]carbamic acid Traditional Name: amidino-[1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazol-4-yl]carbamic acid Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CCCC(N3C=C(N=C3)N(C(=N)N)C(=O)O)O

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CCCC(N3C=C(N=C3)N(C(=N)N)C(=O)O)O

InChI

InChI=1S/C18H22N6O3/c1-12-9-22(14-6-3-2-5-13(12)14)8-4-7-16(25)23-10-15(21-11-23)24(17(19)20)18(26)27/h2-3,5-6,9-11,16,25H,4,7-8H2,1H3,(H3,19,20)(H,26,27)