(8aS)-2-[[(8aS)-4-azanyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-3,8a-dihydroquinazolin-4-amine

Systemtic Name: (8aS)-2-[[(8aS)-4-azanyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-3,8a-dihydroquinazolin-4-amine Openeye Name: (8aS)-2-[[(8aS)-4-amino-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-3,8a-dihydroquinazolin-4-amine CAS Name: (8aS)-2-[[[(8aS)-4-amino-3,8a-dihydroquinazolin-2-yl]methylthio]methyl]-3,8a-dihydroquinazolin-4-amine IUPAC Name: (8aS)-2-[[(8aS)-4-amino-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-3,8a-dihydroquinazolin-4-amine Traditional Name: [(8aS)-2-[[[(8aS)-4-amino-3,8a-dihydroquinazolin-2-yl]methylthio]methyl]-3,8a-dihydroquinazolin-4-yl]amine Formula: C18H20N6S MolecularWeight: 352.4566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C(NC(=N2)CSCC3=NC4C=CC=CC4=C(N3)N)N)C=C1

Isomeric SMILES

C1=C[C@H]2C(=C(NC(=N2)CSCC3=N[C@H]4C=CC=CC4=C(N3)N)N)C=C1

InChI

InChI=1S/C18H20N6S/c19-17-11-5-1-3-7-13(11)21-15(23-17)9-25-10-16-22-14-8-4-2-6-12(14)18(20)24-16/h1-8,13-14H,9-10,19-20H2,(H,21,23)(H,22,24)/t13-,14-/m0/s1