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

Systemtic Name: 4-[[(1R,2S)-2-[bis(azanyl)methylideneamino]cyclohexyl]amino]-6-methyl-N-propyl-quinazoline-2-carboxamide Openeye Name: 4-[[(1R,2S)-2-guanidinocyclohexyl]amino]-6-methyl-N-propyl-quinazoline-2-carboxamide CAS Name: 4-[[(1R,2S)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-propyl-2-quinazolinecarboxamide IUPAC Name: 4-[[(1R,2S)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methyl-N-propylquinazoline-2-carboxamide Traditional Name: 4-[[(1R,2S)-2-guanidinocyclohexyl]amino]-6-methyl-N-propyl-quinazoline-2-carboxamide Formula: C20H29N7O MolecularWeight: 383.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O/c1-3-10-23-19(28)18-24-14-9-8-12(2)11-13(14)17(27-18)25-15-6-4-5-7-16(15)26-20(21)22/h8-9,11,15-16H,3-7,10H2,1-2H3,(H,23,28)(H4,21,22,26)(H,24,25,27)/t15-,16+/m1/s1