(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: (4-amino-6-anilino-s-triazin-2-yl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C21H21N6S+ MolecularWeight: 389.49664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H20N6S/c22-20-25-18(26-21(27-20)24-16-10-5-2-6-11-16)14-23-19(17-12-7-13-28-17)15-8-3-1-4-9-15/h1-13,19,23H,14H2,(H3,22,24,25,26,27)/p+1/t19-/m1/s1