6-[6-azanyl-4-(pentylamino)-1H-1,3,5-triazin-2-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-azanyl-4-(pentylamino)-1H-1,3,5-triazin-2-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[6-amino-4-(pentylamino)-1H-1,3,5-triazin-2-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: 6-[6-amino-4-(pentylamino)-1H-1,3,5-triazin-2-ylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[6-amino-4-(pentylamino)-1H-1,3,5-triazin-2-ylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 6-[6-amino-4-(amylamino)-1H-s-triazin-2-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one Formula: C14H18ClN5O MolecularWeight: 307.77862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=C2C=C(C=CC2=O)Cl)NC(=N1)N

Isomeric SMILES

CCCCCNC1=NC(=C2C=C(C=CC2=O)Cl)NC(=N1)N

InChI

InChI=1S/C14H18ClN5O/c1-2-3-4-7-17-14-19-12(18-13(16)20-14)10-8-9(15)5-6-11(10)21/h5-6,8H,2-4,7H2,1H3,(H4,16,17,18,19,20)