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

Systemtic Name: 6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)pteridin-7-amine Openeye Name: 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-N-(3-thienylmethyl)pteridin-7-amine CAS Name: 6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-N-(3-thiophenylmethyl)-7-pteridinamine IUPAC Name: 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)pteridin-7-amine Traditional Name: (6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)-(3-thenyl)amine Formula: C19H23ClN8S MolecularWeight: 430.95752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CSC=C4)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CSC=C4)Cl)N5CCNCC5

InChI

InChI=1S/C19H23ClN8S/c20-15-17(22-11-13-3-10-29-12-13)24-16-14(23-15)18(27-6-1-2-7-27)26-19(25-16)28-8-4-21-5-9-28/h3,10,12,21H,1-2,4-9,11H2,(H,22,24,25,26)