N-(1-benzothiophen-3-ylmethyl)-6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine Openeye Name: N-(benzothiophen-3-ylmethyl)-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine CAS Name: N-(1-benzothiophen-3-ylmethyl)-6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine Traditional Name: benzothiophen-3-ylmethyl-(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amine Formula: C23H25ClN8S MolecularWeight: 481.0162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CSC5=CC=CC=C54)Cl)N6CCNCC6

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CSC5=CC=CC=C54)Cl)N6CCNCC6

InChI

InChI=1S/C23H25ClN8S/c24-19-21(26-13-15-14-33-17-6-2-1-5-16(15)17)28-20-18(27-19)22(31-9-3-4-10-31)30-23(29-20)32-11-7-25-8-12-32/h1-2,5-6,14,25H,3-4,7-13H2,(H,26,28,29,30)