4-[[(1R,2S)-2-[bis(azanyl)methylideneamino]cyclohexyl]amino]-6-methyl-N-pentyl-quinazoline-2-carboxamide

Systemtic Name: 4-[[(1R,2S)-2-[bis(azanyl)methylideneamino]cyclohexyl]amino]-6-methyl-N-pentyl-quinazoline-2-carboxamide Openeye Name: 4-[[(1R,2S)-2-guanidinocyclohexyl]amino]-6-methyl-N-pentyl-quinazoline-2-carboxamide CAS Name: 4-[[(1R,2S)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-pentyl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1R,2S)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-pentylquinazoline-2-carboxamide Traditional Name: N-amyl-4-[[(1R,2S)-2-guanidinocyclohexyl]amino]-6-methyl-quinazoline-2-carboxamide Formula: C22H33N7O MolecularWeight: 411.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NC2=C(C=C(C=C2)C)C(=N1)NC3CCCCC3N=C(N)N

Isomeric SMILES

CCCCCNC(=O)C1=NC2=C(C=C(C=C2)C)C(=N1)N[C@@H]3CCCC[C@@H]3N=C(N)N

InChI

InChI=1S/C22H33N7O/c1-3-4-7-12-25-21(30)20-26-16-11-10-14(2)13-15(16)19(29-20)27-17-8-5-6-9-18(17)28-22(23)24/h10-11,13,17-18H,3-9,12H2,1-2H3,(H,25,30)(H4,23,24,28)(H,26,27,29)/t17-,18+/m1/s1