4,11-bis(3-methylbutoxy)pyrrolo[3,4-b]phenothiazine-1,3-diamine

Systemtic Name: 4,11-bis(3-methylbutoxy)pyrrolo[3,4-b]phenothiazine-1,3-diamine Openeye Name: 4,11-diisopentyloxypyrrolo[3,4-b]phenothiazine-1,3-diamine CAS Name: 4,11-bis(3-methylbutoxy)pyrrolo[3,4-b]phenothiazine-1,3-diamine IUPAC Name: 4,11-bis(3-methylbutoxy)pyrrolo[3,4-b]phenothiazine-1,3-diamine Traditional Name: (1-amino-4,11-diisoamoxy-pyrrolo[3,4-b]phenothiazin-3-yl)amine Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C2C(=C(N=C2N)N)C(=C3C1=NC4=CC=CC=C4S3)OCCC(C)C

Isomeric SMILES

CC(C)CCOC1=C2C(=C(N=C2N)N)C(=C3C1=NC4=CC=CC=C4S3)OCCC(C)C

InChI

InChI=1S/C24H30N4O2S/c1-13(2)9-11-29-20-17-18(24(26)28-23(17)25)21(30-12-10-14(3)4)22-19(20)27-15-7-5-6-8-16(15)31-22/h5-8,13-14H,9-12,26H2,1-4H3,(H2,25,28)